1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol

C13H17FO2 — CID 161067218

IUPAC1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
SMILESCCCC(O)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C13H17FO2/c1-2-3-11(15)13-6-4-9-8-10(14)5-7-12(9)16-13/h5,7-8,11,13,15H,2-4,6H2,1H3
InChIKeyUEEKPMKFCXWWEF-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.68
Rot. Bonds3

About 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol

1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol (PubChem CID 161067218) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
PubChem CID161067218
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
SMILESCCCC(O)C1CCc2cc(F)ccc2O1
InChIInChI=1S/C13H17FO2/c1-2-3-11(15)13-6-4-9-8-10(14)5-7-12(9)16-13/h5,7-8,11,13,15H,2-4,6H2,1H3
InChIKeyUEEKPMKFCXWWEF-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene
CID 143057687
(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
CID 14577197
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[(2S)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
CID 46782461
(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol;hydrochloride
CID 11626384
bis(1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol);sulfane
CID 169428735
2-amino-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol;molecular hydrogen
CID 145188563
(1S)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-4-phenylbutan-1-ol
CID 158119819
lithium tetrakis[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]alumanuide
CID 16689382
N-[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]-N-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]nitrous amide
CID 171390029
bis(1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol);methane;hydrochloride;hydroiodide
CID 159463823
CID 58795145
CID 58795145
[(2R)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]-[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]propyl]azanium
CID 90890036

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol (CID 161067218) is 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol is CCCC(O)C1CCc2cc(F)ccc2O1.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol?
The InChIKey is UEEKPMKFCXWWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-2-3-11(15)13-6-4-9-8-10(14)5-7-12(9)16-13/h5,7-8,11,13,15H,2-4,6H2,1H3.
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol?
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol is sourced from PubChem (CID 161067218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).